Computational chemistry reviews of current trends / Volume 8 :
Chapter 1 of this volume provides an overview of the theoretical andnumerical aspects in the development of the polarizable continuummodel (PCM). Chapter 2 demonstrates a multiplicative scheme used toestimate the properties of two- and three-dimensional clusters from the properties of their one-dime...
| Други автори: | Leszczynski, Jerzy, 1949- |
|---|---|
| Формат: | Електронна книга |
| Език: | English |
| Публикувано: |
Singapore :
World Scientific,
℗♭2003.
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| Предмети: | |
| Онлайн достъп: |
http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=134089 |
Съдържание:
- ch. 1.
- Computational modelling of the solvent effects on molecular properties /
- Roberto Cammi, Benedetta Mennucci and Jacopo Tomasi
- ch. 2.
- Electronic and nonlinear optical properties of 2-methyl-4-nitroaniline clusters /
- Maxime Guillaumea [and others]
- ch. 3.
- Ab initio calculations of the intermolecular nuclear spin-spin coupling constants /
- Magdalena Pecul and Joanna Sadlej
- ch. 4.
- Base polyad motifs in nucleic acids biological significance, occurrence in three-imensional experimental structures and computational studies /
- Michael Meyer and Jiirgen Siihnel
- ch. 5.
- Model calculations of radiation induced damage in DNA constituents using density functional theory /
- David M. Close
- ch. 6.
- Excited states of nucleic acid bases /
- M.K. Shukla and Jerzy Leszczynski.